methyl N-(4-cyano-3-methyl-phenyl)-N'-cyclooctyl-carbamimidothioate

Systemtic Name: methyl N-(4-cyano-3-methyl-phenyl)-N'-cyclooctyl-carbamimidothioate Openeye Name: 1-(4-cyano-3-methyl-phenyl)-3-cyclooctyl-2-methyl-isothiourea CAS Name: N-(4-cyano-3-methylphenyl)-N'-cyclooctylcarbamimidothioic acid methyl ester IUPAC Name: methyl N-(4-cyano-3-methylphenyl)-N'-cyclooctylcarbamimidothioate Traditional Name: 1-(4-cyano-3-methyl-phenyl)-3-cyclooctyl-2-methyl-isothiourea Formula: C18H25N3S MolecularWeight: 315.4762

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)NC(=NC2CCCCCCC2)SC)C#N

Isomeric SMILES

CC1=C(C=CC(=C1)NC(=NC2CCCCCCC2)SC)C#N

InChI

InChI=1S/C18H25N3S/c1-14-12-17(11-10-15(14)13-19)21-18(22-2)20-16-8-6-4-3-5-7-9-16/h10-12,16H,3-9H2,1-2H3,(H,20,21)